SCHEMBL765826

SCHEMBL765826

CC(O)c1ccc(Oc2ccc(CNC(=O)C3(NC(=O)CC4CC4)CC3)cc2)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB11 A5LHX3 2/20 0.36
PSMA7 O14818 2/20 0.36
PSMB1 P20618 2/20 0.36
PSMA1 P25786 2/20 0.36
PSMA2 P25787 2/20 0.36
PSMA3 P25788 2/20 0.36
PSMA4 P25789 2/20 0.36
PSMB8 P28062 2/20 0.36
PSMB9 P28065 2/20 0.36
PSMA5 P28066 2/20 0.36
PSMB4 P28070 2/20 0.36
PSMB6 P28072 2/20 0.36
PSMB5 P28074 2/20 0.36
PSMB10 P40306 2/20 0.36
PSMB3 P49720 2/20 0.36
PSMB2 P49721 2/20 0.36
PSMA6 P60900 2/20 0.36
PSMA8 Q8TAA3 2/20 0.36
PSMB7 Q99436 2/20 0.36
CCR2 P41597 8/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13166112 0.94 OPRL1 (0.38) CCR2UBE2MDCUN1D1
SCHEMBL13165768 0.92 OPRL1 (0.36) CCR2UBE2MDCUN1D1DDR2
SCHEMBL765568 0.90 SCN9A (0.37) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL765640 0.89 SCN9A (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL12238930 0.88 EPHX2 (0.41) CCR2BDKRB1PDE4APDE4BPDE4C
SCHEMBL764451 0.87 BDKRB1 (0.35) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL13904098 0.85 CACNA1B (0.34) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL13165776 0.84 OPRL1 (0.35) CCR2BDKRB1UBE2MDCUN1D1SCN9A
SCHEMBL764500 0.84 BDKRB1 (0.43) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL13165725 0.84 CARM1 (0.34) CCR2BDKRB1UBE2MDCUN1D1SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed